ethyl 6-(difluoromethyl)-5-fluoro-2-iodopyridine-3-carboxylate

C9H7F3INO2 — CID 133106006

IUPACethyl 6-(difluoromethyl)-5-fluoro-2-iodopyridine-3-carboxylate
SMILESCCOC(=O)c1cc(F)c(C(F)F)nc1I
InChIInChI=1S/C9H7F3INO2/c1-2-16-9(15)4-3-5(10)6(7(11)12)14-8(4)13/h3,7H,2H2,1H3
InChIKeySHDBCWKZNZEJAL-UHFFFAOYSA-N
MW345.06 g/mol
LogP2.94
Rot. Bonds3

About ethyl 6-(difluoromethyl)-5-fluoro-2-iodopyridine-3-carboxylate

ethyl 6-(difluoromethyl)-5-fluoro-2-iodopyridine-3-carboxylate (PubChem CID 133106006) has the molecular formula C9H7F3INO2 and a molecular weight of 345.06 g/mol. Its IUPAC name is ethyl 6-(difluoromethyl)-5-fluoro-2-iodopyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-(difluoromethyl)-5-fluoro-2-iodopyridine-3-carboxylate
PubChem CID133106006
Molecular FormulaC9H7F3INO2
Molecular Weight345.06 g/mol
Exact Mass344.95
IUPAC Nameethyl 6-(difluoromethyl)-5-fluoro-2-iodopyridine-3-carboxylate
SMILESCCOC(=O)c1cc(F)c(C(F)F)nc1I
InChIInChI=1S/C9H7F3INO2/c1-2-16-9(15)4-3-5(10)6(7(11)12)14-8(4)13/h3,7H,2H2,1H3
InChIKeySHDBCWKZNZEJAL-UHFFFAOYSA-N
XLogP2.94
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.06
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze ethyl 6-(difluoromethyl)-5-fluoro-2-iodopyridine-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 2-(difluoromethyl)-6-iodo-5-methoxypyridine-3-carboxylate
CID 133101859
ethyl 2-(difluoromethyl)-6-iodo-5-(trifluoromethyl)pyridine-3-carboxylate
CID 133100322
ethyl 2-(difluoromethyl)-4-fluoro-6-iodopyridine-3-carboxylate
CID 133105663
ethyl 2-(difluoromethyl)-6-fluoro-3-(trifluoromethyl)pyridine-4-carboxylate
CID 133103926
ethyl 6-(difluoromethyl)-2-fluoro-3-iodopyridine-4-carboxylate
CID 133105829
methyl 5-(aminomethyl)-6-(difluoromethyl)-2-iodopyridine-3-carboxylate
CID 133100242
ethyl 2-[6-(difluoromethyl)-2,5-difluoro-3-pyridinyl]acetate
CID 134661756
ethyl 6-(difluoromethyl)-4,5-difluoropyridine-2-carboxylate
CID 134677164
ethyl 6-(difluoromethyl)-4-fluoro-5-methylpyridine-2-carboxylate
CID 133105058
ethyl 2-(difluoromethyl)-5,6-dimethoxypyridine-3-carboxylate
CID 134677856
ethyl 5-(difluoromethyl)-6-iodo-2-methoxypyridine-3-carboxylate
CID 133102129
ethyl 5-chloro-6-(difluoromethyl)-3-iodopyridine-2-carboxylate
CID 134677140

Frequently Asked Questions

What is the IUPAC name of ethyl 6-(difluoromethyl)-5-fluoro-2-iodopyridine-3-carboxylate?
The IUPAC name of ethyl 6-(difluoromethyl)-5-fluoro-2-iodopyridine-3-carboxylate (CID 133106006) is ethyl 6-(difluoromethyl)-5-fluoro-2-iodopyridine-3-carboxylate.
What is the SMILES notation for ethyl 6-(difluoromethyl)-5-fluoro-2-iodopyridine-3-carboxylate?
The canonical SMILES for ethyl 6-(difluoromethyl)-5-fluoro-2-iodopyridine-3-carboxylate is CCOC(=O)c1cc(F)c(C(F)F)nc1I.
What is the InChIKey of ethyl 6-(difluoromethyl)-5-fluoro-2-iodopyridine-3-carboxylate?
The InChIKey is SHDBCWKZNZEJAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F3INO2/c1-2-16-9(15)4-3-5(10)6(7(11)12)14-8(4)13/h3,7H,2H2,1H3.
What are the key properties of ethyl 6-(difluoromethyl)-5-fluoro-2-iodopyridine-3-carboxylate?
ethyl 6-(difluoromethyl)-5-fluoro-2-iodopyridine-3-carboxylate has a molecular weight of 345.06 g/mol, XLogP of 2.94, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-(difluoromethyl)-5-fluoro-2-iodopyridine-3-carboxylate is sourced from PubChem (CID 133106006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).